2-(3,4-Dihydroxyphenyl)-7-(β-D-Glucopyranosyloxy)-5-Hydroxy-4-Oxo-4H-Chromen-8-Yl β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C27H30O17
IUPAC Name 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]chromen-4-one
Molecular Mass 626.517 g·mol−1
Heat of Formation -2809.5 ± 16.7 kJ·mol−1
Dipole Moment 6.37 ± 1.08 D
Volume 667.89 Å 3
Surface Area 509.95 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-chromenone
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]chromen-4-one
  • 2-(3,4-dihydroxyphenyl)-5-hydroxy-7,8-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]chromone
  • 2-(3,4-dihydroxyphenyl)-8-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-4h-1-benzopyran-4-one mono-beta-d-glucopyranoside
  • 4h-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-8-(beta-d-glucopyranosyloxy)-5,7-dihydroxy-, mono-beta-d-glucopyranoside
  • glucosylorientin
CAS Number(s)
  • 76135-83-6
InChIKey IUPCXAQYIYDXBJ-TUTGZWPLSA-N
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